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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 17
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Research Articles

Antifungal activity of amino-alcohols based cationic surfactants and in silico, homology modeling, docking and molecular dynamics studies against lanosterol 14-α-demethylase enzyme

Zakaria Hafidia Laboratoire de Physico-Chimie des Matériaux Inorganiques et Organiques, Ecole Normale supérieure-Rabat, Mohammed V University in Rabat, Centre des Sciences des Matériaux, Rabat, Morocco;b Surfactants and Nanobiotechnology Department, IQAC, CSIC, Barcelona, SpainCorrespondence[email protected]
,
Mohammed El achouria Laboratoire de Physico-Chimie des Matériaux Inorganiques et Organiques, Ecole Normale supérieure-Rabat, Mohammed V University in Rabat, Centre des Sciences des Matériaux, Rabat, Morocco
,
Francisco F. O.Sousab Surfactants and Nanobiotechnology Department, IQAC, CSIC, Barcelona, Spain;c Graduate Program on Pharmaceutical Innovation, Department of Biological & Health Sciences, Federal University of Amapa, Rodovia Juscelino Kubitschek, Macapa, Amapá, Brazil
&
Lourdes Pérezb Surfactants and Nanobiotechnology Department, IQAC, CSIC, Barcelona, Spain
Pages 7762-7778 | Received 22 Nov 2020, Accepted 05 Mar 2021, Published online: 23 Mar 2021

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Mohd Waseem, Jitendra K. Thakur & Naidu Subbarao. (2023) Prediction of novel and potent inhibitors of lanosterol 14-α demethylase. Journal of Biomolecular Structure and Dynamics 41:12, pages 5744-5756.
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Saad Fettach, Fatima Zahra Thari, Zakaria Hafidi, Khalid Karrouchi, Kaoutar Bouathmany, Yahia Cherrah, Mohammed El Achouri, Laila Benbacer, Mohammed El Mzibri, Hassan Sefrioui, Khalid Bougrin & My El Abbes Faouzi. (2023) Biological, toxicological and molecular docking evaluations of isoxazoline-thiazolidine-2,4-dione analogues as new class of anti-hyperglycemic agents. Journal of Biomolecular Structure and Dynamics 41:3, pages 1072-1084.
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Lahcen Oucheikh, Omar Ou-Ani, Soumia Moujane, Abdeslam Ansari, Ahmad Oubair & Mohamed Znini. (2023) Chemical composition, in vitro antifungal activity, DFT, molecular docking and molecular dynamics simulation studies of the essential oil from Anvillea gracinii subsp. radiata (Coss. & Durieu) Anderb. Journal of Essential Oil Research 35:1, pages 35-50.
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Articles from other publishers (3)

Lourdes Perez, Zakaria Hafidi, Aurora Pinazo, Maria Teresa García, Manuel Martín-Pastor & Francisco Fábio Oliveira de Sousa. (2023) Zein Nanoparticles Containing Arginine-Phenylalanine-Based Surfactants: Stability, Antimicrobial and Hemolytic Activity. Nanomaterials 13:1, pages 200.
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Ravi Jothi, Ravichellam Sangavi, Veerapandian Raja, Ponnuchamy Kumar, Shunmugiah Karutha Pandian & Shanmugaraj Gowrishankar. (2022) Alteration of Cell Membrane Permeability by Cetyltrimethylammonium Chloride Induces Cell Death in Clinically Important Candida Species. International Journal of Environmental Research and Public Health 20:1, pages 27.
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Emmanuel EDACHE, Adamu UZAİRU, Paul Andrew MAMZA & Gideon Adamu SHALLANGWA. (2022) Investigation of salicylidene acylhydrazides derivatives: Molecular Docking, ADMET, and Molecular Dynamic Simulations were used in conjunction towards the design of new Yersinia pseudotuberculosis inhibitors. Turkish Computational and Theoretical Chemistry 6:1, pages 9-30.
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